SCHEMBL4767792

SCHEMBL4767792

C[S+]([O-])N(Cc1cccc(Cl)c1Cl)c1ccc(C(C(N)=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
REN P00797 1/20 0.38
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.34
NAMPT P43490 2/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
DRD2 P14416 2/20 0.33
BRD4 O60885 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HTRA1 Q92743 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC10 Q969S8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4768255 0.84 GAA (0.42) MAPTALDH1A1LMNARENPOLB
SCHEMBL4792287 0.81 REN (0.38) MAPTALDH1A1LMNARENMAPK1
SCHEMBL4773427 0.74 GAA (0.48) MAPTALDH1A1LMNARENPOLB
SCHEMBL4836320 0.69 P2RX7 (0.43)
SCHEMBL4768251 0.68 GAA (0.42) MAPTALDH1A1LMNARENPOLB
SCHEMBL4777704 0.68 MEN1 (0.34) MAPT
SCHEMBL4775063 0.66 GAA (0.40) MAPTALDH1A1LMNAPOLBGAA
SCHEMBL12270350 0.66 GAA (0.53) MAPTALDH1A1GAANAMPTCA1
SCHEMBL4773426 0.65 NAMPT (0.43) MAPTLMNARENPOLBMAPK1
SCHEMBL13685303 0.64 L3MBTL1 (0.46) MAPTATMGAANAMPTCA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed